Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Caspase-1' and Ligand = 'BDBM50068954'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Caspase-1 (Homo sapiens (Human))	BDBM50068954 ((S)-5-Butylamino-3-(2-{3-[(naphthalene-2-carbonyl)...) Show SMILES CCCCNCC(=O)[C@H](CC(O)=O)NC(=O)C(CC)n1cccc(NC(=O)c2ccc3ccccc3c2)c1=O Show InChI InChI=1S/C29H34N4O6/c1-3-5-14-30-18-25(34)23(17-26(35)36)32-28(38)24(4-2)33-15-8-11-22(29(33)39)31-27(37)21-13-12-19-9-6-7-10-20(19)16-21/h6-13,15-16,23-24,30H,3-5,14,17-18H2,1-2H3,(H,31,37)(H,32,38)(H,35,36)/t23-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ferring Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant IL-1 beta converting enzyme				Bioorg Med Chem Lett 8: 959-64 (1999) BindingDB Entry DOI: 10.7270/Q2ZP458C
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